SCHEMBL493200

SCHEMBL493200

Cc1ccc(F)cc1-c1ncon1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CASP6 P55212 1/20 0.43
NISCH Q9Y2I1 1/20 0.41
ABL1 P00519 10/20 0.39
LRRK2 Q5S007 1/20 0.37
PDE2A O00408 2/20 0.35
PDE10A Q9Y233 2/20 0.35
S1PR1 P21453 1/20 0.34
SLC9A1 P19634 1/20 0.34
HCRTR1 O43613 1/20 0.33
HCRTR2 O43614 1/20 0.33
GRM5 P41594 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL27742256 0.79 IDO1 (0.41) HCRTR1HCRTR2
SCHEMBL15331474 0.79 CASP6 (0.43) CASP6HCRTR1HCRTR2
SCHEMBL24799564 0.79 CASP6 (0.45) CASP6S1PR1
SCHEMBL29542837 0.79 CASP6 (0.45) CASP6S1PR1
SCHEMBL28407536 0.77 CASP6 (0.56) CASP6GRM5
SCHEMBL15329720 0.76 CASP6 (0.43) CASP6HCRTR1HCRTR2
SCHEMBL4337968 0.74 NPC1 (0.45)
SCHEMBL14886183 0.74 NISCH (0.49) CASP6NISCHABL1LRRK2PDE2A
SCHEMBL16856594 0.72 L3MBTL1 (0.47) NISCHS1PR1
SCHEMBL310646 0.72 NISCH (0.41) NISCHHCRTR1HCRTR2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8106055-B2 Substituted amide compounds GRUENENTHAL GMBH (DE) 2012-01-31 US disclosed
US-20080306084-A1 Substituted Amide Compounds GRUENENTHAL GMBH (DE) 2008-12-11 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080306084-A1 Substituted Amide Compounds OPRK1, NAA50, ACMSD CASP6 2982/4885NISCH 246/4885ABL1 1023/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.